Geometry & MOs

Info

ID:	89946
PubChem CID:	49965558
Reduced:	FNO4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-134.92
Dipole, Da:	5.97
IP(EA), eV:	-9.39(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-4-(3-methylphenyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C(=C/2\C(NC(=O)C2=O)C3=CC=CC=C3F)/O

DOS

IR

Vibrations